Geometry & MOs

Info

ID:	420240
PubChem CID:	135112011
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-25.04
Dipole, Da:	2.99
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1C[C@@H]2CC[C@H](C1)N(C2)CC3=CN=C(N=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations